Mol:FL3FECGS0046
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 54 58 0 0 0 0 0 0 0 0999 V2000 | + | 54 58 0 0 0 0 0 0 0 0999 V2000 |
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| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 35 42 1 0 0 0 0 | + | 35 42 1 0 0 0 0 |
| − | 36 43 1 0 0 0 0 | + | 36 43 1 0 0 0 0 |
| − | 37 22 1 0 0 0 0 | + | 37 22 1 0 0 0 0 |
| − | 40 44 1 0 0 0 0 | + | 40 44 1 0 0 0 0 |
| − | 30 45 1 0 0 0 0 | + | 30 45 1 0 0 0 0 |
| − | 45 46 2 0 0 0 0 | + | 45 46 2 0 0 0 0 |
| − | 45 47 1 0 0 0 0 | + | 45 47 1 0 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 48 52 1 0 0 0 0 | + | 48 52 1 0 0 0 0 |
| − | 48 53 1 0 0 0 0 | + | 48 53 1 0 0 0 0 |
| − | 50 54 2 0 0 0 0 | + | 50 54 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FECGS0046 | + | ID FL3FECGS0046 |
| − | KNApSAcK_ID C00013691 | + | KNApSAcK_ID C00013691 |
| − | NAME 6-Hydroxyluteolin 6-glucoside-7-[6'''-(3-hydroxy-3-methylglutaryl)glucoside];7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-6-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one | + | NAME 6-Hydroxyluteolin 6-glucoside-7-[6'''-(3-hydroxy-3-methylglutaryl)glucoside];7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-6-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one |
| − | CAS_RN 165460-15-1 | + | CAS_RN 165460-15-1 |
| − | FORMULA C33H38O21 | + | FORMULA C33H38O21 |
| − | EXACTMASS 770.190558278 | + | EXACTMASS 770.190558278 |
| − | AVERAGEMASS 770.64222 | + | AVERAGEMASS 770.64222 |
| − | SMILES O(C(CC(C)(O)CC(O)=O)=O)CC(C(O)5)OC(C(C5O)O)Oc(c1OC(O4)C(O)C(O)C(O)C(CO)4)cc(O2)c(C(=O)C=C2c(c3)ccc(c(O)3)O)c(O)1 | + | SMILES O(C(CC(C)(O)CC(O)=O)=O)CC(C(O)5)OC(C(C5O)O)Oc(c1OC(O4)C(O)C(O)C(O)C(CO)4)cc(O2)c(C(=O)C=C2c(c3)ccc(c(O)3)O)c(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
54 58 0 0 0 0 0 0 0 0999 V2000
4.1456 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1456 0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8600 -0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5745 0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5745 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8600 1.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4311 -0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7166 0.0758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0022 -0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0022 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7166 -1.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4311 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2877 0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5732 -0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5732 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2877 -1.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7166 -2.2924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1413 0.0758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2877 -2.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2801 1.3024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2390 -0.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0799 -1.5387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8746 0.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4621 -0.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.4198 0.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.3577 -0.0364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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48 52 1 0 0 0 0
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50 54 2 0 0 0 0
S SKP 8
ID FL3FECGS0046
KNApSAcK_ID C00013691
NAME 6-Hydroxyluteolin 6-glucoside-7-[6'''-(3-hydroxy-3-methylglutaryl)glucoside];7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-6-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
CAS_RN 165460-15-1
FORMULA C33H38O21
EXACTMASS 770.190558278
AVERAGEMASS 770.64222
SMILES O(C(CC(C)(O)CC(O)=O)=O)CC(C(O)5)OC(C(C5O)O)Oc(c1OC(O4)C(O)C(O)C(O)C(CO)4)cc(O2)c(C(=O)C=C2c(c3)ccc(c(O)3)O)c(O)1
M END
